SpectraBase Spectrum ID |
6hx1kme6a9n |
Name |
(5R*,5aR*)-5-Ethoxycarbonylamino-6-bromoacetyl-5,5a,6,11-tetrahydro-4H-benz[f]indeno[1,7-bc]azepine |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C21H21BrN2O3 |
InChI |
InChI=1S/C21H21BrN2O3/c1-2-27-21(26)23-16-11-15-8-5-7-14-10-13-6-3-4-9-17(13)24(18(25)12-22)20(16)19(14)15/h3-9,16,20H,2,10-12H2,1H3,(H,23,26)/t16-,20+/m1/s1 |
InChIKey |
HYQVOMDRKLDHCU-UZLBHIALSA-N |
Molecular Weight |
429.314 g/mol |
SMILES |
N([C@]1([C@@]2(N(c3c(Cc4c2c(ccc4)C1)cccc3)C(=O)CBr)[H])[H])C(=O)OCC |
SPLASH |
splash10-03xr-0092000000-36d9a21675b68ea18568 |
Source of Spectrum |
KC-0-2778-6 |
Synonyms |
Ethyl (5R,5aR)-6-(bromoacetyl)-5,5a,6,11-tetrahydro-4H-indeno[1,7-bc][1]benzazepin-5-ylcarbamate |
Wiley ID |
823458 |